S984-1732 Screening compound: 1-(difluoromethyl)-5-methyl-4-{[5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]sulfonyl}-1H-pyrazole

S984-1732 Screening compound: 1-(difluoromethyl)-5-methyl-4-{[5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]sulfonyl}-1H-pyrazole
S984-1732 Screening compound: 1-(difluoromethyl)-5-methyl-4-{[5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]sulfonyl}-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-1732
1-(difluoromethyl)-5-methyl-4-{[5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]sulfonyl}-1H-pyrazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S984-1732

Molecular Formula

C19H29F2N5O3S (C19 H29 F2 N5 O3 S)

Compound Name

1-(difluoromethyl)-5-methyl-4-{[5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]sulfonyl}-1H-pyrazole

IUPAC name

4-{[(3aS6aS)-5-(propan-2-yl)-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[34-c]pyrrol-2-yl]sulfonyl}-1-(difluoromethyl)-5-methyl-1H-pyrazole

SMILES

CC(C)N(C[C@H]1CN(C2)S(c3c(C)n(C(F)F)nc3)(=O)=O)C[C@]12C(N1CCCC1)=O

InChI

InChI=1S/C19H29F2N5O3S/c1-13(2)24-9-15-10-25(12-19(15,11-24)17(27)23-6-4-5-7-23)30(28,29)16-8-22-26(14(16)3)18(20)21/h8,13,15,18H,4-7,9-12H2,1-3H3/t15-,19+/m1/s1

InChI Key

OWVODDDOKROJRR-BEFAXECRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.831

Distribution Coefficient, logD

-3.631

Water Solubility, LogSw

-1.49

Polar Surface Area

66.800

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

11.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

78.95

S984-1732 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S984-1732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-1732?
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What is the minimum amount of S984-1732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-1732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-1732
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of S984-1732 available by request